4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole
TL;DR: 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole (CAS 1004643-53-1) is a chemical compound with molecular formula C9H16N2O and molecular weight 168.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(ethoxymethyl)-1-ethyl-3-methylpyrazole
Also Known As: 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole, 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole, 4-Ethoxymethyl-1-ethyl-3-methyl-1H-pyrazole, 4-(ethoxymethyl)-1-ethyl-3-methyl-pyrazole, ethoxy(1-ethyl-3-methylpyrazol-4-yl)methane
| Molecular Formula | C9H16N2O |
|---|---|
| Molecular Weight | 168.13 g/mol |
| LogP | 1.74792 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.12627 |
| Heavy Atoms | 12 |
| Complexity | 242.67662 |
Chemical Identifiers
| CAS Number | 1004643-53-1 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)COCC |
Product Overview
4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole (CAS 1004643-53-1), with molecular formula C9H16N2O and molecular weight 168.13 g/mol. IUPAC: 4-(ethoxymethyl)-1-ethyl-3-methylpyrazole.
Chemical Property Profile of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole
Property Insights of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole
The XLogP value of 1.74792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole. With a topological polar surface area (TPSA) of 27.05 Ų, 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole?
The CAS number of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole is 1004643-53-1.
What is the molecular formula of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole?
The molecular formula of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole is C9H16N2O.
What is the molecular weight of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole?
The molecular weight of 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole is 168.13 g/mol.
Where can I buy 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole?
You can request a quote for 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(ethoxymethyl)-1-ethyl-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.